| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5268762
Max Phase: Preclinical
Molecular Formula: C24H40N2O
Molecular Weight: 372.60
Associated Items:
Representations
Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)NCc1ccccn1
Standard InChI: InChI=1S/C24H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(27)26-22-23-19-17-18-21-25-23/h9-10,17-19,21H,2-8,11-16,20,22H2,1H3,(H,26,27)/b10-9+
Standard InChI Key: ZSYJXHYNOXSEKA-MDZDMXLPSA-N
Associated Targets(non-human)
Trypanosoma cruzi 99888 Activities
Vero 26788 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 372.60 | Molecular Weight (Monoisotopic): 372.3141 | AlogP: 6.74 | #Rotatable Bonds: 17 |
| Polar Surface Area: 41.99 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.14 | CX LogP: 6.79 | CX LogD: 6.79 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.24 | Np Likeness Score: -0.46 |
References
| 1. García FF, Musikant D, Escalona JL, Edreira MM, Liñares GG.. (2023) Lipase-Catalyzed Synthesis and Biological Evaluation of N-Picolineamides as Trypanosoma cruzi Antiproliferative Agents., 14 (1.0): [PMID:36655123] [10.1021/acsmedchemlett.2c00425] |
Source
Source(1):